General Information of the Compound
Compound ID
CP0161126
Compound Name
((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
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Synonyms
5'-O-phosphonatocytidine
A834351
AC1OEJZP
CHEBI:60377
CJ-10966
CMP
CMP dianion
CMP(2-)
Cytidine-5'-Monophosphate
Cytidine-5-monophosphate dianion
LS-190174
[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl phosphate
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
cytidine 5'-monophosphate(2-)
cytidine-monophosphate
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Structure
Formula
C9H14N3O8P
Molecular Weight
323.198
Canonical SMILES
Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1
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InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
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InChIKey
IERHLVCPSMICTF-XVFCMESISA-N
CAS
293738-08-6
55679-92-0
30811-80-4
162756-87-8
Physicochemical Property
logP
-2.446
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
177.36
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
9
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 6131
SID: 14801515
ChEMBL ID
CHEMBL307679
DrugBank ID
DB03403
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04436, UMP-CMP kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  1
1
Km = 56000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cytidine-5'-Monophosphate )
Drug Name Cytidine-5'-Monophosphate